7 Commits

Author	SHA1	Message	Date
Greg Landrum	e08e0d16d8	first pass, using google style	2015-11-14 14:58:11 +01:00
Greg Landrum	c5a7371202	Fixes #584	2015-08-27 10:00:35 +02:00
Riccardo Vianello	7c346d7c2e	Code/RDBoost/Exceptions.h moved to Code/RDGeneral	2015-03-16 22:31:48 +01:00
Greg Landrum	7932b3d7d8	Fixes #441	2015-03-01 06:56:42 +01:00
Brian Kelley	95a92282d1	Dictionary access is saniztized and optimized. ... o rdkit gains a RDKit::common_properties namespace that contains common string value properties o Dict.h and below gain getPropIfPresent that attempts to retrieve a property and returns true/false on success or failure. This is used to optimize access. o rdkit learns how to pass property keys by reference, not value. A new namespace has been added to RDKit, common_properties that contains the std::string values for commonly used properties. This helps to avoid typos in string values but also avoids a creation of std::strings from character values. All accessors (has/get/clear and getPropIfPresent) now pass the key by reference. Additionally, getPropIfPresent removes the double lookup of hasProp/getProp which can be a significant speedup in the smiles and smarts parsers (10-20%)	2015-01-15 12:23:29 -05:00
Greg Landrum	ee8b94b134	Fixes #317	2014-08-25 06:52:45 +02:00
Greg Landrum	395608ffc6	add MolOps::renumberAtoms()	2013-10-27 14:19:28 +01:00